3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C16H25N3O3 — CID 3965679

IUPAC3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1CCCC(C)N1C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H25N3O3/c1-11-6-5-7-12(2)19(11)13(20)10-18-14(21)16(17-15(18)22)8-3-4-9-16/h11-12H,3-10H2,1-2H3,(H,17,22)
InChIKeyVVTLXLWQSNFKML-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.64
Rot. Bonds2

About 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 3965679) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID3965679
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC1CCCC(C)N1C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H25N3O3/c1-11-6-5-7-12(2)19(11)13(20)10-18-14(21)16(17-15(18)22)8-3-4-9-16/h11-12H,3-10H2,1-2H3,(H,17,22)
InChIKeyVVTLXLWQSNFKML-UHFFFAOYSA-N
XLogP1.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 3965679) is 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CC1CCCC(C)N1C(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is VVTLXLWQSNFKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-11-6-5-7-12(2)19(11)13(20)10-18-14(21)16(17-15(18)22)8-3-4-9-16/h11-12H,3-10H2,1-2H3,(H,17,22).
What are the key properties of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 307.39 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 3965679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).